3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea

C15H31N3O3 — CID 78886950

IUPAC3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCC(C)(C)N1CC(C)OC(C)C1
InChIInChI=1S/C15H31N3O3/c1-6-17(7-8-19)14(20)16-11-15(4,5)18-9-12(2)21-13(3)10-18/h12-13,19H,6-11H2,1-5H3,(H,16,20)
InChIKeyFQWMVVZMYCNRLE-UHFFFAOYSA-N
MW301.43 g/mol
LogP0.90
Rot. Bonds6

About 3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea

3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 78886950) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID78886950
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCC(C)(C)N1CC(C)OC(C)C1
InChIInChI=1S/C15H31N3O3/c1-6-17(7-8-19)14(20)16-11-15(4,5)18-9-12(2)21-13(3)10-18/h12-13,19H,6-11H2,1-5H3,(H,16,20)
InChIKeyFQWMVVZMYCNRLE-UHFFFAOYSA-N
XLogP0.90
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylpropanamide
CID 119839528
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylpropanamide;dihydrochloride
CID 119839527
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,1-diethylurea
CID 97355533
2-(cyclopropylmethylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]acetamide
CID 119839560
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119839593
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide
CID 29299383
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
(2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide
CID 119839592
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302140
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302135
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-2-carboxamide
CID 29297646
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide
CID 29294243

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 78886950) is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)NCC(C)(C)N1CC(C)OC(C)C1.
What is the InChIKey of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is FQWMVVZMYCNRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-6-17(7-8-19)14(20)16-11-15(4,5)18-9-12(2)21-13(3)10-18/h12-13,19H,6-11H2,1-5H3,(H,16,20).
What are the key properties of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 301.43 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 78886950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).